⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Thiohydantoin SCHEMBL27396584 | 0.75 | MAPT (0.33) | — | |
| Thiohydantoin SCHEMBL31955553 | 0.74 | — | — | |
| Thiohydantoin SCHEMBL3520254 | 0.74 | — | — | |
| SCHEMBL57549 | 0.72 | — | — | |
| Thiohydantoin SCHEMBL28357993 | 0.71 | GSK3A (0.31) | — | |
| Hydrochloric Acid SCHEMBL1554036 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL3496230 | 0.70 | — | — | |
| Methane SCHEMBL222390 | 0.70 | — | — | |
| Lithium SCHEMBL17474380 | 0.70 | — | — | |
| Methane SCHEMBL190374 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0774122-A1 | MEROCYANINE DYE PROTEIN STAINS | MOLECULAR PROBES, INC. (US) | 1997-05-21 | — | — | EP | disclosed |
| US-5616502-A | QUANTITATIVE, COLORIMETRIC ANALYSIS OF POLYAMINO ACIDS | MOLECULAR PROBES, INC. (US) | 1997-04-01 | — | — | US | disclosed |
| WO-1996036882-A1 | MEROCYANINE DYE PROTEIN STAINS | MOLECULAR PROBES, INC. (US) | 1996-11-21 | — | — | WO | disclosed |